1-(cyclohex-3-en-1-ylmethyl)-5-(1-ethylpyrazol-4-yl)-4H-imidazo[4,5-d]pyrazole

C16H20N6 — CID 135890741

IUPAC1-(cyclohex-3-en-1-ylmethyl)-5-(1-ethylpyrazol-4-yl)-4H-imidazo[4,5-d]pyrazole
SMILESCCn1cc(-c2nc3c(cnn3CC3CC=CCC3)[nH]2)cn1
InChIInChI=1S/C16H20N6/c1-2-21-11-13(8-17-21)15-19-14-9-18-22(16(14)20-15)10-12-6-4-3-5-7-12/h3-4,8-9,11-12H,2,5-7,10H2,1H3,(H,19,20)
InChIKeyCJLUZVGYZYTNLY-UHFFFAOYSA-N
MW296.38 g/mol
LogP3.00
Rot. Bonds4

About 1-(cyclohex-3-en-1-ylmethyl)-5-(1-ethylpyrazol-4-yl)-4H-imidazo[4,5-d]pyrazole

1-(cyclohex-3-en-1-ylmethyl)-5-(1-ethylpyrazol-4-yl)-4H-imidazo[4,5-d]pyrazole (PubChem CID 135890741) has the molecular formula C16H20N6 and a molecular weight of 296.38 g/mol. Its IUPAC name is 1-(cyclohex-3-en-1-ylmethyl)-5-(1-ethylpyrazol-4-yl)-4H-imidazo[4,5-d]pyrazole.

Molecular Properties

Compound Name1-(cyclohex-3-en-1-ylmethyl)-5-(1-ethylpyrazol-4-yl)-4H-imidazo[4,5-d]pyrazole
PubChem CID135890741
Molecular FormulaC16H20N6
Molecular Weight296.38 g/mol
Exact Mass296.17
IUPAC Name1-(cyclohex-3-en-1-ylmethyl)-5-(1-ethylpyrazol-4-yl)-4H-imidazo[4,5-d]pyrazole
SMILESCCn1cc(-c2nc3c(cnn3CC3CC=CCC3)[nH]2)cn1
InChIInChI=1S/C16H20N6/c1-2-21-11-13(8-17-21)15-19-14-9-18-22(16(14)20-15)10-12-6-4-3-5-7-12/h3-4,8-9,11-12H,2,5-7,10H2,1H3,(H,19,20)
InChIKeyCJLUZVGYZYTNLY-UHFFFAOYSA-N
XLogP3.00
TPSA64.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohex-3-en-1-ylmethyl)-5-(1-ethylpyrazol-4-yl)-4H-imidazo[4,5-d]pyrazole?
The IUPAC name of 1-(cyclohex-3-en-1-ylmethyl)-5-(1-ethylpyrazol-4-yl)-4H-imidazo[4,5-d]pyrazole (CID 135890741) is 1-(cyclohex-3-en-1-ylmethyl)-5-(1-ethylpyrazol-4-yl)-4H-imidazo[4,5-d]pyrazole.
What is the SMILES notation for 1-(cyclohex-3-en-1-ylmethyl)-5-(1-ethylpyrazol-4-yl)-4H-imidazo[4,5-d]pyrazole?
The canonical SMILES for 1-(cyclohex-3-en-1-ylmethyl)-5-(1-ethylpyrazol-4-yl)-4H-imidazo[4,5-d]pyrazole is CCn1cc(-c2nc3c(cnn3CC3CC=CCC3)[nH]2)cn1.
What is the InChIKey of 1-(cyclohex-3-en-1-ylmethyl)-5-(1-ethylpyrazol-4-yl)-4H-imidazo[4,5-d]pyrazole?
The InChIKey is CJLUZVGYZYTNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6/c1-2-21-11-13(8-17-21)15-19-14-9-18-22(16(14)20-15)10-12-6-4-3-5-7-12/h3-4,8-9,11-12H,2,5-7,10H2,1H3,(H,19,20).
What are the key properties of 1-(cyclohex-3-en-1-ylmethyl)-5-(1-ethylpyrazol-4-yl)-4H-imidazo[4,5-d]pyrazole?
1-(cyclohex-3-en-1-ylmethyl)-5-(1-ethylpyrazol-4-yl)-4H-imidazo[4,5-d]pyrazole has a molecular weight of 296.38 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohex-3-en-1-ylmethyl)-5-(1-ethylpyrazol-4-yl)-4H-imidazo[4,5-d]pyrazole is sourced from PubChem (CID 135890741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).